(3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine

C12H17N — CID 121431985

IUPAC(3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine
SMILESC/C=C\C=C1\C=CC=NC1(C)CC
InChIInChI=1S/C12H17N/c1-4-6-8-11-9-7-10-13-12(11,3)5-2/h4,6-10H,5H2,1-3H3/b6-4-,11-8-
InChIKeySTZVSUUUDBTHHJ-DGBPBKOVSA-N
MW175.27 g/mol
LogP3.30
Rot. Bonds2

About (3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine

(3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine (PubChem CID 121431985) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine.

Molecular Properties

Compound Name(3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine
PubChem CID121431985
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine
SMILESC/C=C\C=C1\C=CC=NC1(C)CC
InChIInChI=1S/C12H17N/c1-4-6-8-11-9-7-10-13-12(11,3)5-2/h4,6-10H,5H2,1-3H3/b6-4-,11-8-
InChIKeySTZVSUUUDBTHHJ-DGBPBKOVSA-N
XLogP3.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine?
The IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine (CID 121431985) is (3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine.
What is the SMILES notation for (3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine?
The canonical SMILES for (3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine is C/C=C\C=C1\C=CC=NC1(C)CC.
What is the InChIKey of (3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine?
The InChIKey is STZVSUUUDBTHHJ-DGBPBKOVSA-N. The full InChI is InChI=1S/C12H17N/c1-4-6-8-11-9-7-10-13-12(11,3)5-2/h4,6-10H,5H2,1-3H3/b6-4-,11-8-.
What are the key properties of (3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine?
(3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine has a molecular weight of 175.27 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-but-2-enylidene]-2-ethyl-2-methylpyridine is sourced from PubChem (CID 121431985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).